(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol

C13H14BrN3O — CID 106461825

IUPAC(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol
SMILESCn1nnc(Br)c1C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C13H14BrN3O/c1-17-10(12(14)15-16-17)11(18)13(7-8-13)9-5-3-2-4-6-9/h2-6,11,18H,7-8H2,1H3
InChIKeyULHSDMASQXKCHZ-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.34
Rot. Bonds3

About (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol

(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol (PubChem CID 106461825) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol
PubChem CID106461825
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol
SMILESCn1nnc(Br)c1C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C13H14BrN3O/c1-17-10(12(14)15-16-17)11(18)13(7-8-13)9-5-3-2-4-6-9/h2-6,11,18H,7-8H2,1H3
InChIKeyULHSDMASQXKCHZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol (CID 106461825) is (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol is Cn1nnc(Br)c1C(O)C1(c2ccccc2)CC1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol?
The InChIKey is ULHSDMASQXKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-17-10(12(14)15-16-17)11(18)13(7-8-13)9-5-3-2-4-6-9/h2-6,11,18H,7-8H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol has a molecular weight of 308.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopropyl)methanol is sourced from PubChem (CID 106461825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).